D-Phenylalanine 673-06-3 wiki

1. Names and Identifiers

1.1 Name: D-Phenylalanine
1.2 Synonyms: (-)-Phenylalanine (2R)-2-amino-3-phenylpropanoic acid (2S)-2-amino-3-phenylpropanoic acid (L)-Phenylalanine (R)-(+)-Phenylalanine (R)-Phenylalanine (S)-(-)-Phenylalanine (S)-2-Amino-3-phenylpropanoic acid (S)-2-Amino-3-phenylpropionic acid (S)-A-Aminobenzenepropanoic Acid (S)-a-Amino-b-phenylpropionic Acid (S)-a-Aminohydrocinnamic Acid (S)-phenylalanine (S)-α-Aminobenzenepropanoic acid Alanine, 3-phenyl- Alanine, phenyl-, L- Benzenepropanoic acid, α-amino-, (S)- C6H5CH2CH(NH2)COOH D(+)-PHENYLALANINE D-2-AMINO-3-PHENYLPROPANOIC ACID D-a-Amino-b-phenylpropionic Acid D-alpha-Amino-beta-phenylpropionic acid D-ALPHA-AMINO-BETA-PHENYL-PROPIONIC ACID d-alpha-aminohydrocinnamic acid D-beta-Phenyl-alpha-aminopropionic acid D-b-Phenylalanine d-phe D-phenylalanine zwitterion D-α-Amino-Β-phenylpropionic acid D-Β-Phenylalanine EINECS 211-603-5 H-D-PHE-OH H-Phe-OH L-2-Amino-3-phenylpropionic acid l-Phe L-Phenylalanine L-phenylalanine zwitterion L-PHENYLALININE MFCD00004270 NATEGLINIDE INTERMEDIATES PhE Phenylalanine (VAN) phenylalanine D-form Phenylalanine, L- S-phenylalanine α-Aminohydrocinnamic acid, L- α-Amino-Β-phenylpropionic acid α-Amino-Β-phenylpropionic acid, L- Β-phenyl-L-alanine

1.3 CAS No.: 673-06-3

1.4 CID: 71567

1.5 EINECS(EC#): 211-603-5

1.6 Molecular Formula: C9H11NO2 (isomer)

1.7 Inchi: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1

1.8 InChkey: COLNVLDHVKWLRT-MRVPVSSYSA-N

1.9 Canonical Smiles: C1=CC=C(C=C1)CC(C(=O)O)N

1.10 Isomers Smiles: C1=CC=C(C=C1)C[C@H](C(=O)O)N

2. Properties

2.1 Density: 1.1603 (rough estimate)

2.1 Melting point: 273-276 °C(lit.)

2.1 Boiling point: 293.03°C (rough estimate)

2.1 Refractive index: 34 ° (C=2, H2O)

2.1 Flash Point: 139.8 °C

2.1 Precise Quality: 165.07900

2.1 PSA: 63.32000

2.1 logP: 1.34130

2.1 Solubility: 27 g/L (20 ºC)

2.2 Appearance: D-phenylalanine appears as needles or prisms. (NTP, 1992)

2.3 Storage: Ambient temperatures.

2.4 Chemical Properties: White crystalline powder

2.5 Color/Form: White to off-white

2.6 Physical: PHYSICAL DESCRIPTION: Needles or prisms. (NTP, 1992)

2.7 pKa: 2.2(at 25℃)

2.8 Water Solubility: H2O: 27 g/L (20 oC)

2.9 Spectral Properties: Specific optical rotation: -35.1 deg at 20 deg C/D (c = 1.94)
Specific optical rotation: +70 deg at 18 deg C/D (water)
IR: 5556 (Sadtler Research Laboratories Prism Collection)
NMR: 16028 (Sadtler Research Laboratories Spectral Collection)
MASS: 107173 (NIST/EPA/MCDC Mass Spectral Database 1990 version)

2.10 Stability: Stable. Incompatible with strong oxidizing agents, acids, bases.

2.11 StorageTemp: Store at RT.

3. Use and Manufacturing

3.1 Definition: ChEBI: The D-enantiomer of phenylalanine.

3.2 General Description: Needles or prisms.

3.3 GHS Classification: Signal: Warning
GHS Hazard Statements
Aggregated GHS information provided by 11 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 9 of 11 companies. For more detailed information, please visit ECHA C&L website

Of the 2 notification(s) provided by 2 of 11 companies with hazard statement code(s):

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501

3.4 Usage: antidepressant

4. Safety and Handling

4.1 Hazard Codes: Xi,C

4.1 Risk Statements: 34

4.1 Safety Statements: 24/25-45-36/37/39-27-26

4.1 Exposure Standards and Regulations: L-Phenylalanine is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.
Drug products containing certain active ingredients offered over-the-counter (OTC) for certain uses. A number of active ingredients have been present in OTC drug products for various uses, as described below. However, based on evidence currently available, there are inadequate data to establish general recognition of the safety and effectiveness of these ingredients for the specified uses: phenylalanine is included in weight control drug products.
Phenylalanine used as a nutrient and/or dietary supplement in animal drugs, feeds, and related products is generally recognized as safe when used in accordance with good manufacturing or feeding practice.

4.2 Octanol/Water Partition Coefficient: log Kow = -1.38

4.3 Fire Hazard: Flash point data for D-alpha-Amino-beta-phenylpropionic acid are not available, however D-alpha-Amino-beta-phenylpropionic acid is probably combustible.

4.4 Hazard Declaration: H302

4.4 DisposalMethods: SRP: Criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
SRP: At the time of review, regulatory criteria for small quantity disposal are subject to significant revision, however, household quantities of waste pharmaceuticals may be managed as follows: Mix with wet cat litter or coffee grounds, double bag in plastic, discard in trash.
SRP: Expired or waste pharmaceuticals shall carefully take into consideration applicable DEA, EPA, and FDA regulations. It is not appropriate to dispose by flushing the pharmaceutical down the toilet or discarding to trash. If possible return the pharmaceutical to the manufacturer for proper disposal being careful to properly label and securely package the material. Alternatively, the waste pharmaceutical shall be labeled, securely packaged and transported by a state licensed medical waste contractor to dispose by burial in a licensed hazardous or toxic waste landfill or incinerator.

4.5 RIDADR: NONH for all modes of transport

4.5 Safety Profile: Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition it emits toxic fumes of NOx.

4.6 Caution Statement: P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501

4.6 Formulations/Preparations: Grades: Technical, FCC [Lewis RJ Sr; Hawley's Condensed Chemical Dictionary 15th ed Wiley (2007)
Available commercially as DL-dihydroxyphenylalanine and as DL-phenylalanine. [Lewis RJ Sr; Hawley's Condensed Chemical Dictionary 15th ed Wiley (2007)
Available commercially as the naturally occurring L(+)-enantiomer

4.7 WGK Germany: 3

4.7 RTECS: AY7533000

4.7 Report

D-Phenylalanine is an essential amino acid.?With cas registry number of 673-06-3, it also has other registry number which is 10549-11-8. Its EINECS?registry number is 211-603-5. This chemical is also known as Phenylalanine D-form?with appearance of white crystalline powder. It is stable, but incompatible with strong oxidizing agents, acids, bases. It belongs to the categories in Benzene derivatives; Aromatic Propionic Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids; chemicals; organic acids; pharmaceutical intermediate; phenlalnine.

Physical properties about this chemical are:?(1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 45.49 cm³; (14)Molar Volume: 137.4 cm³; (15)Surface Tension: 53.5 dyne/cm; (16)Density: 1.201 g/cm³; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000313 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition, it emits toxic fumes of NO_x. It can causes burns. Wear suitable protective clothing, gloves and eye/face protection during using it. Avoid contact with skin and eyes. Take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1ccccc1;
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1;
(3)InChIKey: COLNVLDHVKWLRT-MRVPVSSYBE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	500mg/kg/5W-I (500mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of the American College of Toxicology. Vol. 1(3), Pg. 124, 1982.
rat	LD50	intraperitoneal	5452mg/kg (5452mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.

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4.8 Safety: Hazard Codes:Xi,C
Risk Statements:34
34:Causes burns
Safety Statements:24/25-45-36/37/39-27-26
24/25:Avoid contact with skin and eyes
45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible)
36/37/39:Wear suitable protective clothing, gloves and eye/face protection
27:Take off immediately all contaminated clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
WGK Germany:3
Hazard Note:Irritant
HS Code:29224995

4.9 Specification

D-Phenylalanine is an essential amino acid.?With cas registry number of 673-06-3, it also has other registry number which is 10549-11-8. Its EINECS?registry number is 211-603-5. This chemical is also known as Phenylalanine D-form?with appearance of white crystalline powder. It is stable, but incompatible with strong oxidizing agents, acids, bases. It belongs to the categories in Benzene derivatives; Aromatic Propionic Acids; Phenylalanine [Phe, F]; Amino Acids and Derivatives; alpha-Amino Acids; Amino Acids; Biochemistry; Amino Acids; chemicals; organic acids; pharmaceutical intermediate; phenlalnine.

Physical properties about this chemical are:?(1)ACD/LogP: 1.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.39; (4)ACD/LogD (pH 7.4): -1.39; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Index of Refraction: 1.576; (13)Molar Refractivity: 45.49 cm³; (14)Molar Volume: 137.4 cm³; (15)Surface Tension: 53.5 dyne/cm; (16)Density: 1.201 g/cm³; (17)Flash Point: 139.8 °C; (18)Enthalpy of Vaporization: 57.87 kJ/mol; (19)Boiling Point: 307.5 °C at 760 mmHg; (20)Vapour Pressure: 0.000313 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition, it emits toxic fumes of NO_x. It can causes burns. Wear suitable protective clothing, gloves and eye/face protection during using it. Avoid contact with skin and eyes. Take off immediately all contaminated clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Or if you feel unwell, seek medical advice immediately.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](N)Cc1ccccc1;
(2)InChI: InChI=1/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m1/s1;
(3)InChIKey: COLNVLDHVKWLRT-MRVPVSSYBE

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
human	TDLo	oral	500mg/kg/5W-I (500mg/kg)	GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" GASTROINTESTINAL: NAUSEA OR VOMITING	Journal of the American College of Toxicology. Vol. 1(3), Pg. 124, 1982.
rat	LD50	intraperitoneal	5452mg/kg (5452mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Archives of Biochemistry and Biophysics. Vol. 64, Pg. 319, 1956.

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4.10 Toxicity: TDLo orl-hmn: 500 mg/kg/5W-I:GIT JACTDZ 1(3),124,82

5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)	No symbol.
Signal word	No signal word.
Hazard statement(s)	none
Precautionary statement(s)
Prevention	none
Response	none
Storage	none
Disposal	none

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : in D2O

13C NMR : Predict

1H NMR : 400 MHz in D2O (at 70.C)

1H NMR : Predict

Predict 1H proton NMR

IR : KBr disc

IR : nujol mull

Raman : 4880 A,200 M,powder

7. Synthesis Route

673-06-3Total: 133 Synthesis Route

63-91-2 520 Suppliers

673-06-3 465 Suppliers

Literatures:
Journal of Organic Chemistry, , vol. 54, # 19 p. 4529 - 4535
Yield: null

150-30-1 329 Suppliers

673-06-3 465 Suppliers

Literatures:
Zhang, Zizhang Tetrahedron Letters, 2008 , vol. 49, # 45 p. 6468 - 6470
Yield: ~38%

645-45-4 150 Suppliers

673-06-3 465 Suppliers

Literatures:
Helvetica Chimica Acta, , vol. 75, # 6 p. 1965 - 1978
Yield: null

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8. Precursor and Product

precursor:

63-91-2

114-76-1

5619-07-8

2577-90-4

2448-45-5

1202-30-8

85114-36-9

2566-22-5

2901-75-9

1795-96-6

3530-82-3

122-78-1

962-39-0

156-06-9

645-45-4

100-39-0

5183-07-3

16367-71-8

150-30-1

View all

product :

63060-94-6

86117-53-5

27000-00-6

10549-12-9

34258-14-5

184363-65-3

85612-59-5

105816-04-4

106454-69-7

828-01-3

2448-45-5

166742-75-2

103733-65-9

71666-94-9

201466-03-7

59366-89-1

40279-97-8

67401-65-4

128223-55-2

5267-64-1

3403-25-6

41220-48-8

151899-07-9

156474-21-4

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9. Other Information

9.0 Merck: 14,7271

9.1 BRN: 2804068

9.2 Description: D-Phenylalanine, also known as D-alpha-Amino-beta-phenylpropionic acid, is a kind of non-proteinogenic amino acid. The biological function of D-phenylalanine remains unclear. However, it has certain anti-depressant, analgesic activities and pharmacological activity at niacin receptor II. The mechanism action of its analgesic activity seems to originate from its inhibition of enkephalin degradation by the carboxypeptidase A. It can also be used as pharmaceutical intermediates that are mainly used to treat, prevent osteoporosis, cardiovascular, diabetes and arterioscleros.

9.3 In vitro: The binding of D-Phenylalanine to carboxypeptidase A confers anion sensitivity upon the function of the enzyme by breaking the hydrogen bond between the active site base, Glu-270, and the zinc-bound water molecule.

9.4 In vivo: D-Phenylalanine (500 mg/kg p.o.) produces a small increase in aversive threshold which is not statistically significant and not naloxone reversible. Acetylsalicylic acid (200 mg/kg p.o.) but not zomepirac sodium (200 mg/kg p.o.) in combination with D-phenylalanine (500 mg/kg) produces a small statistically significant increase in aversive threshold.

9.5 Biological Activity: DL-Phenylalanine (DLPA) is marketed as a nutritional supplement for its purported analgesic and antidepressant activities. DL-Phenylalanine is a mixture of D-phenylalanine and L-phenylalanine. The reputed analgesic activity of DL-phenylalanine may be explained by the possible blockage by D-phenylalanine of enkephalin degradation by the enzyme carboxypeptidase A. The mechanism of DL-phenylalanine's supposed antidepressant activity may be accounted for by the precursor role of L-phenylalanine in the synthesis of the neurotransmitters norepinephrine and dopamine. Elevated brain levels of norepinephrine and dopamine are thought to have an antidepressant effect. D-Phenylalanine is absorbed from the small intestine and transported to the liver via the portal circulation. A small amount of D-phenylalanine appears to be converted to L-phenylalanine. D-Phenylalanine is distributed to the various tissues of the body via the systemic circulation. It appears to cross the blood–brain barrier less efficiently than L-phenylalanine, and so a small amount of an ingested dose of D-phenylalanine is excreted in the urine without penetrating the central nervous system.

9.6 Benefits: Phenylalanine can be used to produce the molecule dopamine. Dopamine malfunction in the brain is associated with some forms of depression.
In addition to vitiligo and depression, phenylalanine has been studied for potential effects on:
Pain: The D-form of phenylalanine may contribute to pain relief in some instances, though study results are mixed.
Alcohol withdrawal: A small amount of research indicates that this amino acid, along with other amino acids, may help alleviate symptoms of alcohol withdrawal.
Parkinson’s disease: Very limited evidence suggests that phenylalanine may be beneficial in treating Parkinson’s disease, but more studies are needed.
ADHD: Currently, research does not indicate benefits of this amino acid for the treatment of attention deficit hyperactivity disorder (ADHD).

9.7 Side Effects: Phenylalanine is found in many protein-containing foods and is “generally recognized as safe” by the Food and Drug Administration (FDA). The amount of this amino acid found in foods should not pose a risk for otherwise healthy individuals. What’s more, few or no side effects are generally observed at supplement doses of 23–45 mg per pound (50–100 mg per kg) of body weight. However, it may be best for pregnant women to avoid taking phenylalanine supplements.

9.8 Chemical Properties: White crystalline powder

9.9 Uses: antidepressant

9.10 Uses: D-Phenylalanine, the stereoisomer of L-Phenylalanine (P319415) has been used in the synthesis of Schaeffer’s acid analogues as important structures in tuberculostatic design. They exhibit the ability to inhibit Mycobacterium tuberculosis type II dehydroquinase.

9.11 Definition: ChEBI: The D-enantiomer of phenylalanine.

9.12 General Description: Needles or prisms.

9.13 Air & Water Reactions: Water soluble. Aqueous solutions are weakly acidic.

9.14 Reactivity Profile: D-alpha-Amino-beta-phenylpropionic acid may be light sensitive. D-alpha-Amino-beta-phenylpropionic acid reacts with strong oxidizing agents, acids and bases. . Act as weak acids in solution.

9.15 Fire Hazard: Flash point data for D-alpha-Amino-beta-phenylpropionic acid are not available, however D-alpha-Amino-beta-phenylpropionic acid is probably combustible.

9.16 Safety Profile: Mildly toxic by intraperitoneal route. Human systemic effects by ingestion: nausea, hypermotility, diarrhea. When heated to decomposition it emits toxic fumes of NOx.

9.17 References: https://www.alfa.com/en/catalog/A10572/
https://en.wikipedia.org/wiki/Phenylalanine
Christianson, D. W., et al. "Binding of D-phenylalanine and D-tyrosine to carboxypeptidase A. " Journal of Biological Chemistry264.22(1989):12849-53.

9.18 Reactive Group: Salts, Acidic

9.19 Reactivity Profile: D-PHENYLALANINE may be light sensitive. This compound reacts with strong oxidizing agents, acids and bases. (NTP, 1992). It acts as a weak acid in solution.

9.20 Fire Hazards: Flash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)

9.21 Nonfire Spill Response: SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. STORAGE PRECAUTIONS: You should protect this material from exposure to light, and store it in a refrigerator. (NTP, 1992)

9.22 Personal Protective Equipment: RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. RECOMMENDED GLOVE MATERIALS: Permeation data indicate that latex gloves may provide protection from contact with this compound. Latex over latex gloves is recommended. However, if this chemical makes direct contact with your gloves, or if a tear, hole or puncture develops, remove them at once. (NTP, 1992)

9.23 First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment. INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) should be used; if not available, use a level of protection greater than or equal to that advised under Protective Clothing. INGESTION: DO NOT INDUCE VOMITING. If the victim is conscious and not convulsing, give 1 or 2 glasses of water to dilute the chemical and IMMEDIATELY call a hospital or poison control center. Be prepared to transport the victim to a hospital if advised by a physician. If the victim is convulsing or unconscious, do not give anything by mouth, ensure that the victim's airway is open and lay the victim on his/her side with the head lower than the body. DO NOT INDUCE VOMITING. IMMEDIATELY transport the victim to a hospital. (NTP, 1992)

9.24 Manufacturing Info: D-Phenylalanine: ACTIVE

9.25 Usage: It is an essential amino acid with anti-depressant and analgesic activities. pharmaceutical intermediates, mainly used to treat, prevent osteoporosis, cardiovascular, diabetes, arterioscleros.

10. Computational chemical data

Molecular Weight: 165.18914g/mol
Molecular Formula: C₉H₁₁NO₂
Compound Is Canonicalized: True
XLogP3-AA: null
Exact Mass: 165.078978594
Monoisotopic Mass: 165.078978594
Complexity: 153
Rotatable Bond Count: 3
Hydrogen Bond Donor Count: 2
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 63.3
Heavy Atom Count: 12
Defined Atom Stereocenter Count: 1
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADCjBmAQwCIBAAgCIAiDSCAACAAAgAAAIiIGAAIgKIDKAkRGAYAAkkAAIiAeYyKCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Organic chemical Powder D-Phenylalanine CAS:673-06-3 98% pharmaceutical intermediate product